Materials Data on Sb2Pb2O7 by Materials Project

doi:10.17188/1279360

Title: Materials Data on Sb2Pb2O7 by Materials Project

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Abstract

Pb2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.73 Å. In the second Pb2+ site, Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share corners with two equivalent PbO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Pb–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Sb–O bond distances ranging from 2.01–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent PbO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent PbO8 hexagonal bipyramids.more »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-633099

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Sb2Pb2O7; O-Pb-Sb

OSTI Identifier:: 1279360

DOI:: https://doi.org/10.17188/1279360

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                    The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279360.

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                    The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279360

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                    The Materials Project. 2020.  
"Materials Data on Sb2Pb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279360.  https://www.osti.gov/servlets/purl/1279360. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1279360,

  title        = {Materials Data on Sb2Pb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.73 Å. In the second Pb2+ site, Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share corners with two equivalent PbO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Pb–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Sb–O bond distances ranging from 2.01–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent PbO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pb2+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sb5+ atoms.},

  doi          = {10.17188/1279360},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279360

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